General Information of the Compound
| Compound ID |
CP0128229
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| Compound Name |
(2S)-2-[[4-[5-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)pentyl]benzoyl]amino]pentanedioic acid
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| Structure |
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| Formula |
C23H26N4O6S
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| Molecular Weight |
486.55
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| Canonical SMILES |
Nc1nc2sc(CCCCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
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| InChI |
InChI=1S/C23H26N4O6S/c24-23-26-20(31)16-12-15(34-21(16)27-23)5-3-1-2-4-13-6-8-14(9-7-13)19(30)25-17(22(32)33)10-11-18(28)29/h6-9,12,17H,1-5,10-11H2,(H,25,30)(H,28,29)(H,32,33)(H3,24,26,27,31)/t17-/m0/s1
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| InChIKey |
OBGKKSLNXVLXEM-KRWDZBQOSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01873, Trifunctional purine biosynthetic protein adenosine-3
Cell Viability or Cytotoxicity Assay